DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester

Base Information

• Chemical Name: DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester
• CAS No.: 52888-51-4
• Molecular Formula: C14H18 Cl N O3
• Molecular Weight: 283.755
• DSSTox Substance ID: DTXSID60967347
• Nikkaji Number: J2.209.014C

Synonyms:CGA 29212;52888-51-4;DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester;Metalaxyl Impurity;SCHEMBL395887;DTXSID60967347;HNCCKHGOWJUHJZ-UHFFFAOYSA-N;CS-O-03448;Methyl 2-[(chloroacetyl)(2,6-dimethylphenyl)amino]propanoate;N-(2-Chloroacetyl)-N-(2,6-dimethylphenyl)alanine methyl ester;N-(1'-methoxycarbonyl-ethyl)-N-chloroacetyl-2,6-dimethylaniline;2-[N-(2,6-Dimethylphenyl)chloroacetylamino]propionic acid methyl ester;58234-18-7

Chemical Property of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 1.1E-06mmHg at 25°C
• Boiling Point: 402.3°C at 760 mmHg
• Flash Point: 197.1°C
• PSA: 46.61000
• Density: 1.19g/cm³
• LogP: 2.43670
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 283.0975211
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CCl

Technology Process of DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester

There total 1 articles about DL-Alanine, N-(chloroacetyl)-N-(2,6-dimethylphenyl)-, methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ methyl 2-[N-(2,6-dimethylphenyl)-N-(chloroacetyl)-amino]-propionate (52888-51-4)

Guidance literature:

N-(2,6-Dimethylphenyl)-2-aminopropionsaeure-methylester, Chloracetylchlorid, Toluol, DMF;

DOI:10.1002/hlca.19790620326

Reference yield:

methanol (67-56-1) + methyl 2-[N-(2,6-dimethylphenyl)-N-(chloroacetyl)-amino]-propionate (52888-51-4) → methyl-N-(methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate (57837-19-1)

Guidance literature:

Reference yield:

methyl 2-[N-(2,6-dimethylphenyl)-N-(chloroacetyl)-amino]-propionate (52888-51-4) → methyl 2-[N-(methylaminothiocarbonylthioacetyl)-N-(2,6-dimethylphenyl)-amino]-propionate

Guidance literature:

With carbon disulfide; methylamine; In methanol;

Downstream raw materials:

methyl-N-(methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate

2-[(2,6-Dimethyl-phenyl)-(2-propoxy-acetyl)-amino]-propionic acid methyl ester

2-{(2,6-Dimethyl-phenyl)-[2-(3-iodo-prop-2-ynyloxy)-acetyl]-amino}-propionic acid methyl ester

N-(1'-methoxycarbonyl-ethyl)-N-ethoxyacetyl-2,6-dimethylaniline

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